Geometry & MOs

Info

ID:	297044
PubChem CID:	117606777
Reduced:	FC37H41 (1)
Stoich.:	AB37C41 (1)
Weight, g/mol:	522.309808
ΔH_f, kcal/mol:	-13.1
Dipole, Da:	1.93
IP(EA), eV:	-8.55(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-ethylphenyl)-2-fluoro-4-[2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]benzene

Drug info:

PubChemData

Smile

CCCCCC1CCC(CC1)C2=CC=C(C=C2)C3=CC(=C(C=C3)C4=CC=C(C=C4)C5=CC=C(C=C5)CC)F

DOS

IR

Vibrations